COMPORTAMENTO DE FTALOCIANINA LIPOSSOMAL NO CONTEXTO DA DINÂMICA MOLECULAR

Erick Guimarães França, Waleska Renata Pereira Costa, Eduardo de Faria Franca, Carlos Alberto de Oliveira
2020 Anais do VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular   unpublished
Since the early 1990s, hydrated phospholipid bilayers have been studied using computational modeling methods. In this context, the simulation of the behavior of lipid biomembranes is a promising area, not only for its applications in the understanding of cell membranes, but also for its application to several drug delivery systems widely used and studied during the last decades. Is this worj performed computational simulations of lipid membranes added or not with cholesterol and zinc
more » ... ine, to obtain membrane density values, zinc phthalocyanine side diffusion, system and drug atomic mobility and density maps of the system using GROMACS. Liposomes with suitable ratio between free cholesterol and esterified cholesterol and phospholipids showed encapsulation rates of approximately 80%. In conclusion, The interaction of photosensitizers with free cholesterol influences their spatial disposition in the bi-layers and is directly related to the cell mortality rate.
doi:10.21826/viiiseedmol2020173 fatcat:jf2gwggjhfauve6boil22bvney